Molecular properties
- Formula
- C9H18O2
- Molar mass
- 158.24 g·mol−1
- Exact mass
- 158.1307 Da
- 1
- 1
- 2
- 37.30 Ų
- 3.5 (PubChem computed XLogP3-AA descriptor)
- CAS
- 112-05-0
- PubChem CID
- 8158
Molecule record
Pelargonic acid
C9H18O2
158.24 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alcohol
Carboxylic acid
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 3.5 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Octanecarboxyic acid
- 1-Octanecarboxylic acid
- 112-05-0
- 97SEH7577T
- CHEBI:29019
- Cirrasol 185A
- DTXCID901641
- DTXSID3021641
Show all 22 synonyms
- Emfac 1202
- FEMA No. 2784
- Hexacid C-9
- NONANOIC ACID
- NSC-62787
- NSC-65450
- NSC62787
- Nonoic acid
- Nonylic acid
- Pelargic acid
- Pelargon
- n-Nonanoic acid
- n-Nonoic acid
- n-Nonylic acid
Structure identifiers
- Canonical SMILES
- CCCCCCCCC(=O)O
- Isomeric SMILES
- CCCCCCCCC(=O)O
- InChI
- InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
- InChIKey
- FBUKVWPVBMHYJY-UHFFFAOYSA-N
- PubChem CID
- 8158
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
3000 cm−1broad acid O-H (simulated)
1710 cm−1C=O acid (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for Pelargonic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Pelargonic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.